8I8S

Crystal structure of human MTH1(G2K mutant) in complex with 8-oxo-dGMP and Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-22
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	46.408, 47.636, 123.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.240 - 1.420
R-factor	0.1562
Rwork	0.154
R-free	0.20210
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.005
RMSD bond angle	1.052
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.240	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.070	0.514
Number of reflections	52400	2511
<I/σ(I)>	46.4
Completeness [%]	99.3
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	sodium citrate, tris, NaCl